2-chloro-N-(2,2-dimethylcyclobutyl)pyrimidin-4-amine

C10H14ClN3 — CID 130556405

IUPAC2-chloro-N-(2,2-dimethylcyclobutyl)pyrimidin-4-amine
SMILESCC1(C)CCC1Nc1ccnc(Cl)n1
InChIInChI=1S/C10H14ClN3/c1-10(2)5-3-7(10)13-8-4-6-12-9(11)14-8/h4,6-7H,3,5H2,1-2H3,(H,12,13,14)
InChIKeyDODPTBAUBZCAJZ-UHFFFAOYSA-N
MW211.70 g/mol
LogP2.73
Rot. Bonds2

About 2-chloro-N-(2,2-dimethylcyclobutyl)pyrimidin-4-amine

2-chloro-N-(2,2-dimethylcyclobutyl)pyrimidin-4-amine (PubChem CID 130556405) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 2-chloro-N-(2,2-dimethylcyclobutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2,2-dimethylcyclobutyl)pyrimidin-4-amine
PubChem CID130556405
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name2-chloro-N-(2,2-dimethylcyclobutyl)pyrimidin-4-amine
SMILESCC1(C)CCC1Nc1ccnc(Cl)n1
InChIInChI=1S/C10H14ClN3/c1-10(2)5-3-7(10)13-8-4-6-12-9(11)14-8/h4,6-7H,3,5H2,1-2H3,(H,12,13,14)
InChIKeyDODPTBAUBZCAJZ-UHFFFAOYSA-N
XLogP2.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylcyclopentyl)-2-methylpyrimidin-4-amine
CID 79838962
2-chloro-N-[(1-methylcyclopropyl)methyl]pyrimidin-4-amine
CID 103761593
N-(7-bicyclo[4.1.0]heptanyl)-2-chloropyrimidin-4-amine
CID 130701603
2-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrimidin-4-amine
CID 103761521
4-N-(2,2-dimethylcyclopropyl)-2-N-methylpyrimidine-2,4-diamine
CID 80816176
2-chloro-N-(4-ethylcyclohexyl)pyrimidin-4-amine
CID 62344065
2-chloro-N-(oxetan-3-yl)pyrimidin-4-amine
CID 140802487
2-chloro-N-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562759
N-(2-chloropyrimidin-4-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472809
3-[(2-chloropyrimidin-4-yl)amino]piperidin-2-one
CID 62341701
2-chloro-N-(3-cyclopropyl-2H-pyrrol-5-yl)pyrimidin-4-amine
CID 158423707
N-(2,2-dimethylcyclobutyl)-2-methylpyrazol-3-amine
CID 127009465

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2-dimethylcyclobutyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2,2-dimethylcyclobutyl)pyrimidin-4-amine (CID 130556405) is 2-chloro-N-(2,2-dimethylcyclobutyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2,2-dimethylcyclobutyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2,2-dimethylcyclobutyl)pyrimidin-4-amine is CC1(C)CCC1Nc1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2,2-dimethylcyclobutyl)pyrimidin-4-amine?
The InChIKey is DODPTBAUBZCAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c1-10(2)5-3-7(10)13-8-4-6-12-9(11)14-8/h4,6-7H,3,5H2,1-2H3,(H,12,13,14).
What are the key properties of 2-chloro-N-(2,2-dimethylcyclobutyl)pyrimidin-4-amine?
2-chloro-N-(2,2-dimethylcyclobutyl)pyrimidin-4-amine has a molecular weight of 211.70 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2-dimethylcyclobutyl)pyrimidin-4-amine is sourced from PubChem (CID 130556405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).